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	hartrees
Energy at 0K	-997.648815
Energy at 298.15K	-997.650657
Nuclear repulsion energy	181.871450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3118	3095	2.91
2	A₁	1631	1618	75.72
3	A₁	1404	1393	0.10
4	A₁	524	520	18.66
5	A₁	269	267	0.21
6	A₂	667	662	0.00
7	B₁	891	885	60.47
8	B₁	433	429	4.25
9	B₂	3213	3188	0.12
10	B₂	1066	1058	104.89
11	B₂	672	667	131.81
12	B₂	360	357	0.05

Atom	y (Å)	z (Å)
C1	0.000	1.800
C2	0.000	0.464
H3	0.937	2.359
H4	-0.937	2.359
Cl5	1.529	-0.538
Cl6	-1.529	-0.538

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3367	1.0909	1.0909	2.7941	2.7941
C2	1.3367		2.1143	2.1143	1.8280	1.8280
H3	1.0909	2.1143		1.8742	2.9569	3.8046
H4	1.0909	2.1143	1.8742		3.8046	2.9569
Cl5	2.7941	1.8280	2.9569	3.8046		3.0581
Cl6	2.7941	1.8280	3.8046	2.9569	3.0581

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	123.231	C1	C2	Cl6	123.231
C2	C1	H3	120.796	C2	C1	H4	120.796
H3	C1	H4	118.408	Cl5	C2	Cl6	113.537

All results from a given calculation for CH₂CCl₂ (Ethene, 1,1-dichloro-)

using model chemistry: BLYP/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.190
2	C	-0.343
3	H	0.164
4	H	0.164
5	Cl	0.102
6	Cl	0.102

	x	y	z	Total
	0.000	0.000	1.923	1.923
CHELPG
AIM
ESP

<r²>	145.691
(<r²>)^1/2	12.070

All results from a given calculation for CH2CCl2 (Ethene, 1,1-dichloro-)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for CH₂CCl₂ (Ethene, 1,1-dichloro-)